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	hartrees
Energy at 0K	-553.473128
Energy at 298.15K	-553.479958
HF Energy	-552.544749
Nuclear repulsion energy	217.265736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3089	11.29
2	A₁	3098	2941	0.36
3	A₁	1702	1616	6.14
4	A₁	1509	1433	5.32
5	A₁	1305	1239	0.01
6	A₁	1155	1097	0.56
7	A₁	986	936	0.15
8	A₁	747	709	1.71
9	A₁	519	492	0.09
10	A₂	3129	2971	0.00
11	A₂	1170	1111	0.00
12	A₂	989	939	0.00
13	A₂	964	916	0.00
14	A₂	380	361	0.00
15	B₁	3131	2973	10.20
16	B₁	1154	1096	11.52
17	B₁	920	874	1.68
18	B₁	703	668	43.57
19	B₁	83	78	3.76
20	B₂	3222	3059	1.58
21	B₂	3098	2942	49.68
22	B₂	1504	1428	0.14
23	B₂	1383	1313	3.45
24	B₂	1263	1199	5.58
25	B₂	1001	951	7.34
26	B₂	836	793	0.62
27	B₂	668	634	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.237
C2	0.000	1.341	0.003
C3	0.000	-1.341	0.003
C4	0.000	0.664	-1.325
C5	0.000	-0.664	-1.325
H6	-0.881	1.963	0.133
H7	0.881	1.963	0.133
H8	0.881	-1.963	0.133
H9	-0.881	-1.963	0.133
H10	0.000	1.255	-2.225
H11	0.000	-1.255	-2.225

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8225	1.8225	2.6467	2.6467	2.4177	2.4177	2.4177	2.4177	3.6826	3.6826
C2	1.8225		2.6821	1.4908	2.4046	1.0859	1.0859	3.4216	3.4216	2.2298	3.4208
C3	1.8225	2.6821		2.4046	1.4908	3.4216	3.4216	1.0859	1.0859	3.4208	2.2298
C4	2.6467	1.4908	2.4046		1.3272	2.1428	2.1428	3.1307	3.1307	1.0768	2.1189
C5	2.6467	2.4046	1.4908	1.3272		3.1307	3.1307	2.1428	2.1428	2.1189	1.0768
H6	2.4177	1.0859	3.4216	2.1428	3.1307		1.7613	4.3025	3.9254	2.6157	4.0855
H7	2.4177	1.0859	3.4216	2.1428	3.1307	1.7613		3.9254	4.3025	2.6157	4.0855
H8	2.4177	3.4216	1.0859	3.1307	2.1428	4.3025	3.9254		1.7613	4.0855	2.6157
H9	2.4177	3.4216	1.0859	3.1307	2.1428	3.9254	4.3025	1.7613		4.0855	2.6157
H10	3.6826	2.2298	3.4208	1.0768	2.1189	2.6157	2.6157	4.0855	4.0855		2.5091
H11	3.6826	3.4208	2.2298	2.1189	1.0768	4.0855	4.0855	2.6157	2.6157	2.5091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.595	S1	C2	H6	109.856
S1	C2	H7	109.856	S1	C3	C5	105.595
S1	C3	H8	109.856	S1	C3	H9	109.856
C2	S1	C3	94.754	C2	C4	C5	117.028
C2	C4	H10	119.687	C3	C5	C4	117.028
C3	C5	H11	119.687	C4	C2	H6	111.561
C4	C2	H7	111.561	C4	C5	H11	123.285
C5	C3	H8	111.561	C5	C3	H9	111.561
C5	C4	H10	123.285	H6	C2	H7	108.389
H8	C3	H9	108.389

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)